Vitas-M small molecule compound
5-methoxy-7'-(4-nitrophenyl)-6'-(pyridin-3-ylcarbonyl)-1',6',7',7a'-tetrahydrospiro[indole-3,5'-pyrrolo[1,2-c][1,3]thiazol]-2(1H)-one
Catalog ID
STL042983
SMILES COc1ccc2c(c1)C1(C(=O)N2)N2CSCC2C(C1C(=O)c1cccnc1)c1ccc(cc1)[N+](=O)[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H22N4O5S MW 502.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O5S/c1-35-18-8-9-20-19(11-18)26(25(32)28-20)23(24(31)16-3-2-10-27-12-16)22(21-13-36-14-29(21)26)15-4-6-17(7-5-15)30(33)34/h2-12,21-23H,13-14H2,1H3,(H,28,32)InChIKey
SHKKOVFTZJGACC-UHFFFAOYSA-NSynonyms
(3S)5methoxy6nicotinoyl7(4nitrophenyl)3677atetrahydro1Hspiro(indoline35pyrrolo(12c)thiazol)2one
5methoxy7(4nitrophenyl)6(pyridin3ylcarbonyl)1677atetrahydrospiro(indole35pyrrolo(12c)(13)thiazol)2(1H)one
5methoxy7(4nitrophenyl)6(pyridine3carbonyl)spiro(1Hindole353677atetrahydro1Hpyrrolo(12c)(13)thiazole)2one
COC1=CC2=C(C=C1)NC(=O)C23C(C(C4N3CSC4)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)C6=CN=CC=C6
COc1ccc2c(c1)(C@@)1(C(=O)N2)N2CSCC2C(C1C(=O)c1cccnc1)c1ccc(cc1)(N+)(=O)(O)
COc1ccc2c(c1)C1(C(=O)N2)N2CSCC2C(C1C(=O)c1cccnc1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC26H22N4O5Sc13518892019(1118)26(25(32)2820)23(24(31)163210271216)22(2113361429(21)26)154617(7515)30(33)34h2122123H1314H21H3(H2832)
MFCD07199070
ZINC000013540345
ZINC000036316837
Check stock
See real-time availability and sample size for STL042983 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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